SCHEMBL9204404

SCHEMBL9204404

CN(C)C(=O)CCSC(CCc1ccccc1C(=O)O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCC1 P33527 4/20 0.68
▸ CYSLTR1 Q9Y271 4/20 0.68
▸ ABCC2 Q92887 3/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ ABCC3 O15438 1/20 0.68
▸ ABCC4 O15439 1/20 0.68
▸ ABCC5 O15440 1/20 0.68
▸ SLCO2B1 O94956 1/20 0.68
▸ ABCB11 O95342 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ SLCO1B3 Q9NPD5 1/20 0.68
▸ ABCG2 Q9UNQ0 1/20 0.68
▸ SLCO1B1 Q9Y6L6 1/20 0.68
▸ CYSLTR2 Q9NS75 2/20 0.65

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9204399 1.00 ABCC1 (0.68) ABCC1CYSLTR1ABCC2MEN1ABCC3
SCHEMBL10437111 0.92 CYSLTR1 (0.69) ABCC1CYSLTR1ABCC2MEN1ABCC3
SCHEMBL10437109 0.92 CYSLTR1 (0.69) ABCC1CYSLTR1ABCC2MEN1ABCC3
SCHEMBL9755780 0.91 CYSLTR1 (0.68) ABCC1CYSLTR1ABCC2MEN1ABCC3
SCHEMBL8500914 0.87 MEN1 (0.64) CYSLTR1MEN1ABCB11KMT2ACYSLTR2
SCHEMBL8499107 0.87 MEN1 (0.64) CYSLTR1MEN1ABCB11KMT2ACYSLTR2
SCHEMBL8499103 0.87 MEN1 (0.64) CYSLTR1MEN1ABCB11KMT2ACYSLTR2
SCHEMBL8500937 0.87 MEN1 (0.63) CYSLTR1MEN1ABCB11KMT2ACYSLTR2
SCHEMBL8500930 0.87 MEN1 (0.63) CYSLTR1MEN1ABCB11KMT2ACYSLTR2
SCHEMBL9209519 0.86 ABCC1 (0.67) ABCC1CYSLTR1ABCC2MEN1ABCC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 — — EP claimed
EP-0399818-B1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC (CA) 1995-08-16 — — EP disclosed
US-5204358-A Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases MERCK FROSST CANADA, INC. (CA) 1993-04-20 — — US disclosed
US-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 — — US disclosed
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 — — EP disclosed
EP-0318093-A2 Diarylquinoline diacids and their use as medicaments MERCK FROSST CANADA INC. (CA) 1989-05-31 — — EP disclosed
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